mp-5433-2/Pr3RuO7/harm

Equation of state

../../_images/fig_bm4980.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9972.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13905.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9972.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29725.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times17320.png

(a) Computation time